Reaction mechanism of atomic layer deposition of zirconium oxide using zirconium precursors bearing amino ligands and water.

ABSTRACT: As a unique nanofabrication technology, atomic layer deposition (ALD) has been widely used for the preparation of various materials in the fields of microelectronics, energy and catalysis. As a high-κ gate dielectric to replace SiO₂, zirconium oxide (ZrO₂) has been prepared through the ALD method for microelectronic devices. In this work, through density functional theory calculations, the possible reaction pathways of ZrO₂ ALD using tetrakis(dimethylamino)zirconium (TDMAZ) and water as the precursors were explored. The whole ZrO₂ ALD reaction could be divided into two sequential reactions, TDMAZ and H₂O reactions. In the TDMAZ reaction on the hydroxylated surface, the dimethylamino group of TDMAZ could be directly eliminated by substi

SUBMITTER: Xu R 

PROVIDER: S-EPMC9672480 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature